SCHEMBL16334824

SCHEMBL16334824

C=C(C)CCc1cccc(B(O)O)c1

nearest known ligand 0.63

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ LPL P06858 3/20 0.63
▸ LIPG Q9Y5X9 3/20 0.63
▸ ENPP2 Q13822 7/20 0.55
▸ KDM4E B2RXH2 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ MGLL Q99685 2/20 0.39
▸ CA1 P00915 2/20 0.37
▸ CA2 P00918 2/20 0.37

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL1554681 0.83 ALDH1A1 (0.43) LPLLIPGALDH1A1
SCHEMBL3138179 0.79 LPL (0.90) LPLLIPGENPP2MGLLCA1
SCHEMBL1421621 0.78 LPL (0.77) LPLLIPGENPP2KDM4EALDH1A1
SCHEMBL634209 0.77 KEAP1 (0.57) LPLLIPGENPP2MGLL
SCHEMBL1997891 0.77 LIPG (1.00) LPLLIPGENPP2MGLLCA1
SCHEMBL202958 0.77 LPL (0.69) LPLLIPGENPP2KDM4EALDH1A1
SCHEMBL10907937 0.77 DRD2 (0.55) ENPP2MGLL
SCHEMBL28980647 0.76 LIPG (1.00) LPLLIPGENPP2MGLLCA1
SCHEMBL28980712 0.76 LIPG (1.00) LPLLIPGENPP2MGLLCA1
SCHEMBL3146386 0.76 LIPG (1.00) LPLLIPGENPP2MGLLCA1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3013782-B1 ORGANIC COMPOUNDS GIVAUDAN SA (CH) 2018-10-03 — — EP disclosed
US-9708570-B2 Organic compounds Givaudan, S.A. (CH) 2017-07-18 — — US disclosed
US-20160369205-A1 ORGANIC COMPOUNDS GIVAUDAN SA (CH) 2016-12-22 — — US disclosed
EP-3013782-A1 ORGANIC COMPOUNDS Givaudan SA (CH) 2016-05-04 — — EP disclosed
WO-2014207205-A1 ORGANIC COMPOUNDS GIVAUDAN SA (CH) 2014-12-31 — — WO disclosed
WO-2014205782-A1 ORGANIC COMPOUNDS GIVAUDAN SA (CH) 2014-12-31 — — WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20160369205-A1 ORGANIC COMPOUNDS PAH, AQP3, HPD LPL 1397/4885LIPG 1560/4885ENPP2 1962/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.

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